9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate
TL;DR: 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate (CAS 6638-25-1) is a chemical compound with molecular formula C21H26O4S and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10,13-dimethyl-11,17-dioxo-9-sulfanyl-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl) acetate
Also Known As: 9-mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate, (10,13-dimethyl-11,17-dioxo-9-sulfanyl-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl) acetate
| Molecular Formula | C21H26O4S |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 3.8066 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.15518 |
| Heavy Atoms | 26 |
| Complexity | 780.88055 |
Chemical Identifiers
| CAS Number | 6638-25-1 |
|---|---|
| SMILES | CC(=O)OC1=CC2=CCC3C4CCC(=O)C4(CC(=O)C3(C2(CC1)C)S)C |
Product Overview
9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate (CAS 6638-25-1), with molecular formula C21H26O4S and molecular weight 374.16 g/mol. IUPAC: (10,13-dimethyl-11,17-dioxo-9-sulfanyl-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl) acetate.
Chemical Property Profile of 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate
Property Insights of 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate
The XLogP value of 3.8066 indicates that 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate. Following Lipinski's Rule of Five, 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate?
The CAS number of 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate is 6638-25-1.
What is the molecular formula of 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate?
The molecular formula of 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate is C21H26O4S.
What is the molecular weight of 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate?
The molecular weight of 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate is 374.16 g/mol.
Where can I buy 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate?
You can request a quote for 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 9-Mercapto-11,17-dioxoandrosta-3,5-dien-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.